2-[1-(4-methylphenyl)sulfonyl-4-(phenylmethyl)piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-(4-methylphenyl)sulfonyl-4-(phenylmethyl)piperidin-4-yl]ethanoic acid Openeye Name: 2-[4-benzyl-1-(p-tolylsulfonyl)-4-piperidyl]acetic acid CAS Name: 2-[1-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-4-piperidinyl]acetic acid IUPAC Name: 2-[4-benzyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetic acid Traditional Name: 2-(4-benzyl-1-tosyl-4-piperidyl)acetic acid Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(CC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(CC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C21H25NO4S/c1-17-7-9-19(10-8-17)27(25,26)22-13-11-21(12-14-22,16-20(23)24)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,24)